| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2008 | 27 | No |
Popular Name: (3S)-3-[(4-nitrophenyl)amino]-3-phenyl-1-(p-tolyl)propan-1-one (3S)-3-[(4-nitrophenyl)amino]-3-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.20 | 13.14 | -12.67 | 1 | 5 | 0 | 75 | 360.413 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-1-E | Androgen Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 18 | 0.40 | Binding ≤ 10μM |
| PRGR-2-E | Progesterone Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 66 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 18 | 0.40 | Binding ≤ 1μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 66 | 0.37 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 18 | 0.40 | Binding ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 66 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
